ChemSpider 2D Image | (1S,2R,3R,4S,5R)-5-{[(2S)-4-Amino-2-hydroxybutanoyl]amino}-2-[(2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl)oxy]-4-hydroxy-3-(beta-D-ribofuranosyloxy)cyclohexanaminium | C21H42N5O12

(1S,2R,3R,4S,5R)-5-{[(2S)-4-Amino-2-hydroxybutanoyl]amino}-2-[(2,6-diamino-2,6-dideoxy-α-D-glucopyranosyl)oxy]-4-hydroxy-3-(β-D-ribofuranosyloxy)cyclohexanaminium

  • Molecular FormulaC21H42N5O12
  • Average mass556.584 Da
  • Monoisotopic mass556.282471 Da
  • ChemSpider ID35523135

  • Charge - Charge

    defined stereocentres - 15 of 15 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1S,2R,3R,4S,5R)-5-{[(2S)-4-Amino-2-hydroxybutanoyl]amino}-2-[(2,6-diamino-2,6-dideoxy-α-D-glucopyranosyl)oxy]-4-hydroxy-3-(β-D-ribofuranosyloxy)cyclohexanaminium [ACD/IUPAC Name]
(1S,2R,3R,4S,5R)-5-{[(2S)-4-Amino-2-hydroxybutanoyl]amino}-2-[(2,6-diamino-2,6-didesoxy-α-D-glucopyranosyl)oxy]-4-hydroxy-3-(β-D-ribofuranosyloxy)cyclohexanaminium [German] [ACD/IUPAC Name]
(1S,2R,3R,4S,5R)-5-{[(2S)-4-Amino-2-hydroxybutanoyl]amino}-2-[(2,6-diamino-2,6-didésoxy-α-D-glucopyranosyl)oxy]-4-hydroxy-3-(β-D-ribofuranosyloxy)cyclohexanaminium [French] [ACD/IUPAC Name]
Butanamide, 4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,6-dideoxy-α-D-glucopyranosyl)oxy]-2-hydroxy-3-(β-D-ribofuranosyloxy)cyclohexyl]-2-hydroxy-, conjugate monoacid, (2S)- [ACD/Index Name]
Butirosin [INN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point: 947.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 156.4±6.0 kJ/mol
Flash Point: 526.8±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 17
#H bond donors: 16
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -3.21
ACD/LogD (pH 5.5): -10.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 313 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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